4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine

C16H16Cl2N2 — CID 63611983

IUPAC4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
SMILESCCc1c(Cl)nc(C2CCCc3ccccc32)nc1Cl
InChIInChI=1S/C16H16Cl2N2/c1-2-11-14(17)19-16(20-15(11)18)13-9-5-7-10-6-3-4-8-12(10)13/h3-4,6,8,13H,2,5,7,9H2,1H3
InChIKeyFBOSMLKZSQVYFD-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.81
Rot. Bonds2

About 4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine

4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine (PubChem CID 63611983) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
PubChem CID63611983
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
SMILESCCc1c(Cl)nc(C2CCCc3ccccc32)nc1Cl
InChIInChI=1S/C16H16Cl2N2/c1-2-11-14(17)19-16(20-15(11)18)13-9-5-7-10-6-3-4-8-12(10)13/h3-4,6,8,13H,2,5,7,9H2,1H3
InChIKeyFBOSMLKZSQVYFD-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 66293143
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine
CID 64981739
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
[6-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63251093
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853
[6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63251092
4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 65414689
4-(chloromethyl)-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 114245062
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylic acid
CID 63250465
[5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63250464

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine (CID 63611983) is 4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine is CCc1c(Cl)nc(C2CCCc3ccccc32)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
The InChIKey is FBOSMLKZSQVYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c1-2-11-14(17)19-16(20-15(11)18)13-9-5-7-10-6-3-4-8-12(10)13/h3-4,6,8,13H,2,5,7,9H2,1H3.
What are the key properties of 4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine has a molecular weight of 307.22 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 63611983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).